UCSF

ZINC37516854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 7.23 -55.57 0 6 -1 87 268.289 5
Lo Low (pH 4.5-6) 1.02 5.32 -18.67 1 6 0 84 269.297 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )